2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol

C27H54O2Si — CID 69168268

IUPAC2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol
SMILESCCCCCCCCCCCCCCCCC(C)=C(O)C1([Si](C)(C)C)CCCCO1
InChIInChI=1S/C27H54O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2)26(28)27(30(3,4)5)23-20-21-24-29-27/h28H,6-24H2,1-5H3
InChIKeyJGQKMPOEEBUMSL-UHFFFAOYSA-N
MW438.81 g/mol
LogP9.51
Rot. Bonds17

About 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol

2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol (PubChem CID 69168268) has the molecular formula C27H54O2Si and a molecular weight of 438.81 g/mol. Its IUPAC name is 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol
PubChem CID69168268
Molecular FormulaC27H54O2Si
Molecular Weight438.81 g/mol
Exact Mass438.39
IUPAC Name2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol
SMILESCCCCCCCCCCCCCCCCC(C)=C(O)C1([Si](C)(C)C)CCCCO1
InChIInChI=1S/C27H54O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2)26(28)27(30(3,4)5)23-20-21-24-29-27/h28H,6-24H2,1-5H3
InChIKeyJGQKMPOEEBUMSL-UHFFFAOYSA-N
XLogP9.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.81
LogP ≤ 59.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-silyloxan-2-yl) dodecanoate
CID 174613847
8,9-dimethylhexadec-8-ene
CID 140717938
2-pentyloxan-2-ol
CID 10035063
2-hexyl-2-methyloxane
CID 67835603
(2-hexyloxan-2-yl)silane
CID 123313847
[2-(1-methoxy-2-methylprop-1-enyl)oxan-2-yl]-trimethylsilane
CID 174993566
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
CID 141006538
(2-methyl-1,3-dioxan-2-yl) nonanoate
CID 177076090
2-hexadecyl-1,3-dioxonane-2-carboxylic acid
CID 54368501
(2-methyloxan-2-yl)-tetradecylsilane
CID 175425313
dioxane;undecanoic acid
CID 174785577
dioxane;tridecanoic acid
CID 174785517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol?
The IUPAC name of 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol (CID 69168268) is 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol.
What is the SMILES notation for 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol?
The canonical SMILES for 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol is CCCCCCCCCCCCCCCCC(C)=C(O)C1([Si](C)(C)C)CCCCO1.
What is the InChIKey of 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol?
The InChIKey is JGQKMPOEEBUMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2)26(28)27(30(3,4)5)23-20-21-24-29-27/h28H,6-24H2,1-5H3.
What are the key properties of 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol?
2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol has a molecular weight of 438.81 g/mol, XLogP of 9.51, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol is sourced from PubChem (CID 69168268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).